1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine

C13H25N3O — CID 114411059

IUPAC1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine
SMILESCOCC1=CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-17-12-13-2-6-15(7-3-13)10-11-16-8-4-14-5-9-16/h2,14H,3-12H2,1H3
InChIKeyDFMFKASJPQWGOX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.17
Rot. Bonds5

About 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine

1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine (PubChem CID 114411059) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine
PubChem CID114411059
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine
SMILESCOCC1=CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-17-12-13-2-6-15(7-3-13)10-11-16-8-4-14-5-9-16/h2,14H,3-12H2,1H3
InChIKeyDFMFKASJPQWGOX-UHFFFAOYSA-N
XLogP0.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
CID 165409660
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727
(3R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885948
4-(methoxymethyl)-1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,6-dihydro-2H-pyridine
CID 108122767
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
CID 113581465
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
4-(methoxymethyl)-1-[(4-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581632

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine (CID 114411059) is 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine is COCC1=CCN(CCN2CCNCC2)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine?
The InChIKey is DFMFKASJPQWGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-17-12-13-2-6-15(7-3-13)10-11-16-8-4-14-5-9-16/h2,14H,3-12H2,1H3.
What are the key properties of 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine?
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine has a molecular weight of 239.36 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine is sourced from PubChem (CID 114411059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).